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Quantum Chemical Calculations to Trace Back Reaction Paths for the Prediction of Reactants
[Image: see text] The long-due development of a computational method for the ab initio prediction of chemical reactants that provide a target compound has been hampered by the combinatorial explosion that occurs when reactions consist of multiple elementary reaction processes. To address this challe...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9131471/ https://www.ncbi.nlm.nih.gov/pubmed/35647604 http://dx.doi.org/10.1021/jacsau.2c00157 |